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. 2013 May 7;117(21):6466–6472. doi: 10.1021/jp311418q

Figure 1.

Figure 1

The chosen order parameter is used to describe the rotational alignment with the local electric field of the ion. The angle α between the dipole moment vector (DPM) of each water molecule within a shell volume and the corresponding vector of the ion’s center of mass (COM) to the water molecule’s center of mass is used to derive a distribution within each shell volume.